3-N-(2-ethylhexyl)benzene-1,3-diamine

C14H24N2 — CID 107819836

IUPAC3-N-(2-ethylhexyl)benzene-1,3-diamine
SMILESCCCCC(CC)CNc1cccc(N)c1
InChIInChI=1S/C14H24N2/c1-3-5-7-12(4-2)11-16-14-9-6-8-13(15)10-14/h6,8-10,12,16H,3-5,7,11,15H2,1-2H3
InChIKeyYEMNNBKLTPYNGT-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.90
Rot. Bonds7

About 3-N-(2-ethylhexyl)benzene-1,3-diamine

3-N-(2-ethylhexyl)benzene-1,3-diamine (PubChem CID 107819836) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-N-(2-ethylhexyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethylhexyl)benzene-1,3-diamine
PubChem CID107819836
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-N-(2-ethylhexyl)benzene-1,3-diamine
SMILESCCCCC(CC)CNc1cccc(N)c1
InChIInChI=1S/C14H24N2/c1-3-5-7-12(4-2)11-16-14-9-6-8-13(15)10-14/h6,8-10,12,16H,3-5,7,11,15H2,1-2H3
InChIKeyYEMNNBKLTPYNGT-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815
3-N-(2-methylpropyl)benzene-1,3-diamine
CID 43132719
3-N-octadecylbenzene-1,3-diamine
CID 154090035
3,4-diethoxy-N-(2-ethylhexyl)aniline
CID 63489493
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806
2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
CID 107819048
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103
(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 115343618
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
4-(chloromethyl)-N-(2-ethylhexyl)aniline
CID 65026136
3-N-ethyl-3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 63532934
4-N-(2-ethylhexyl)quinazoline-4,7-diamine
CID 107819800

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylhexyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-ethylhexyl)benzene-1,3-diamine (CID 107819836) is 3-N-(2-ethylhexyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethylhexyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-ethylhexyl)benzene-1,3-diamine is CCCCC(CC)CNc1cccc(N)c1.
What is the InChIKey of 3-N-(2-ethylhexyl)benzene-1,3-diamine?
The InChIKey is YEMNNBKLTPYNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-7-12(4-2)11-16-14-9-6-8-13(15)10-14/h6,8-10,12,16H,3-5,7,11,15H2,1-2H3.
What are the key properties of 3-N-(2-ethylhexyl)benzene-1,3-diamine?
3-N-(2-ethylhexyl)benzene-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylhexyl)benzene-1,3-diamine is sourced from PubChem (CID 107819836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).